2-Cyano-5-(trifluoromethyl)phenylboronic acid, pinacol ester - CAS 863868-28-4
Catalog: |
BB069013 |
Product Name: |
2-Cyano-5-(trifluoromethyl)phenylboronic acid, pinacol ester |
CAS: |
863868-28-4 |
Synonyms: |
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile; 2-CYANO-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID, PINACOL ESTER; 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4-(TRIFLUOROMETHYL) BENZONITRILE |
IUPAC Name: | 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile |
Description: | 2-Cyano-5-(trifluoromethyl)phenylboronic acid, pinacol ester |
Molecular Weight: | 297.08 |
Molecular Formula: | C14H15BF3NO2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(F)(F)F)C#N |
InChI: | InChI=1S/C14H15BF3NO2/c1-12(2)13(3,4)21-15(20-12)11-7-10(14(16,17)18)6-5-9(11)8-19/h5-7H,1-4H3 |
InChI Key: | IUMGFEGPPUQZBJ-UHFFFAOYSA-N |
Complexity: | 439 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.1147934 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.1147934 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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